2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol

C7H11N3OS — CID 102989025

IUPAC2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol
SMILESCC(CO)Sc1nccnc1N
InChIInChI=1S/C7H11N3OS/c1-5(4-11)12-7-6(8)9-2-3-10-7/h2-3,5,11H,4H2,1H3,(H2,8,9)
InChIKeyZIFGSVCJEQJXKJ-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.53
Rot. Bonds3

About 2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol

2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol (PubChem CID 102989025) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol
PubChem CID102989025
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol
SMILESCC(CO)Sc1nccnc1N
InChIInChI=1S/C7H11N3OS/c1-5(4-11)12-7-6(8)9-2-3-10-7/h2-3,5,11H,4H2,1H3,(H2,8,9)
InChIKeyZIFGSVCJEQJXKJ-UHFFFAOYSA-N
XLogP0.53
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol?
The IUPAC name of 2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol (CID 102989025) is 2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol.
What is the SMILES notation for 2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol?
The canonical SMILES for 2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol is CC(CO)Sc1nccnc1N.
What is the InChIKey of 2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol?
The InChIKey is ZIFGSVCJEQJXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-5(4-11)12-7-6(8)9-2-3-10-7/h2-3,5,11H,4H2,1H3,(H2,8,9).
What are the key properties of 2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol?
2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol has a molecular weight of 185.25 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazin-2-yl)sulfanylpropan-1-ol is sourced from PubChem (CID 102989025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).